SCHEMBL14633152

SCHEMBL14633152

NCCn1ccc(-c2nn(-c3c(Cl)cccc3Cl)c(=O)c3cnc(Nc4ccc(N5CCNCC5)cc4)nc23)n1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ WEE1 P30291 17/20 0.56
▸ CYP3A4 P08684 1/20 0.49
▸ KCNH2 Q12809 3/20 0.47
▸ STK17B O94768 1/20 0.47
▸ STK17A Q9UEE5 1/20 0.47
▸ TNK2 Q07912 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14632872 0.92 WEE1 (0.60) WEE1CYP3A4KCNH2
SCHEMBL14633407 0.90 WEE1 (0.60) WEE1CYP3A4KCNH2TNK2
SCHEMBL14633017 0.86 WEE1 (0.41) WEE1CYP3A4KCNH2STK17BSTK17A
SCHEMBL14633383 0.86 WEE1 (0.60) WEE1CYP3A4KCNH2
SCHEMBL14633100 0.86 WEE1 (0.58) WEE1CYP3A4KCNH2
SCHEMBL14633489 0.86 WEE1 (0.58) WEE1CYP3A4KCNH2TNK2
SCHEMBL14633067 0.86 WEE1 (0.58) WEE1CYP3A4KCNH2TNK2
SCHEMBL14633098 0.85 WEE1 (0.59) WEE1CYP3A4KCNH2
SCHEMBL14633443 0.85 WEE1 (0.56) WEE1CYP3A4KCNH2TNK2
SCHEMBL14632858 0.85 WEE1 (0.58) WEE1CYP3A4KCNH2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8796289-B2 Pyridazino[4,5-D]pyrimidin-5(6H)-one inhibitors of kinases ABBVIE INC. (US) 2014-08-05 — — US claimed
WO-2013013031-A1 PYRIDAZINO [4, 5 -D] PYRIMIDIN- (6H) -ONE INHIBITORS OF WEE - 1 KINASE ABBVIE INC. (US) 2013-01-24 — — WO claimed
US-20130023523-A1 PYRIDAZINO[4,5-D]PYRIMIDIN-5(6H)-ONE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2013-01-24 — — US claimed
US-9051327-B2 Pyridazino[4,5-D]pyrimidin-5(6H)-one inhibitors of kinases ABBVIE INC. (US) 2015-06-09 — — US disclosed
US-20140296220-A1 PYRIDAZINO[4,5-D]PYRIMIDIN-5(6H)-ONE INHIBITORS OF KINASES ABBVIE INC (US) 2014-10-02 — — US disclosed
US-8796289-B2 Pyridazino[4,5-D]pyrimidin-5(6H)-one inhibitors of kinases ABBVIE INC. (US) 2014-08-05 — — US disclosed
WO-2013013031-A1 PYRIDAZINO [4, 5 -D] PYRIMIDIN- (6H) -ONE INHIBITORS OF WEE - 1 KINASE ABBVIE INC. (US) 2013-01-24 — — WO disclosed
US-20130023523-A1 PYRIDAZINO[4,5-D]PYRIMIDIN-5(6H)-ONE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2013-01-24 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140296220-A1 PYRIDAZINO[4,5-D]PYRIMIDIN-5(6H)-ONE INHIBITORS OF KINASES WEE1, WEE2, CDK1 WEE1 1/4885CYP3A4 1925/4885KCNH2 1681/4885
US-20130023523-A1 PYRIDAZINO[4,5-D]PYRIMIDIN-5(6H)-ONE INHIBITORS OF KINASES WEE1, WEE2, CDK1 WEE1 1/4885CYP3A4 1925/4885KCNH2 1681/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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